Design, Conformation, and Crystallography of 2-Naphthyl Phenyl Ethers as Potent Anti-HIV Agents.

Publication Type:

Journal Article

Authors:

Lee, Won-Gil; Chan, Albert H; Spasov, Krasimir A; Anderson, Karen S; Jorgensen, William L

Source:

ACS Med Chem Lett, Volume 7, Issue 12, p.1156-1160 (2016)

Abstract:

<p>Catechol diethers that incorporate a 7-cyano-2-naphthyl substituent are reported as non-nucleoside inhibitors of HIV-1 reverse transcriptase (NNRTIs). Many of the compounds have 1-10 nM potencies toward wild-type HIV-1. An interesting conformational effect allows two unique conformers for the naphthyl group in complexes with HIV-RT. X-ray crystal structures for 4a and 4f illustrate the alternatives.</p>

PDB: 
5TEP 5TER
Detector: 
Q315
Beamline: 
24-ID-E